2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol

C16H18O4 — CID 23019019

IUPAC2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol
SMILESCCCC(c1cc(O)ccc1O)c1cc(O)ccc1O
InChIInChI=1S/C16H18O4/c1-2-3-12(13-8-10(17)4-6-15(13)19)14-9-11(18)5-7-16(14)20/h4-9,12,17-20H,2-3H2,1H3
InChIKeyCZVKZNFYLXDVNK-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.44
Rot. Bonds4

About 2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol

2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol (PubChem CID 23019019) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol
PubChem CID23019019
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol
SMILESCCCC(c1cc(O)ccc1O)c1cc(O)ccc1O
InChIInChI=1S/C16H18O4/c1-2-3-12(13-8-10(17)4-6-15(13)19)14-9-11(18)5-7-16(14)20/h4-9,12,17-20H,2-3H2,1H3
InChIKeyCZVKZNFYLXDVNK-UHFFFAOYSA-N
XLogP3.44
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol
CID 56611171
4-[1-[2,4-dihydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]butyl]-6-[(4-hydroxyphenyl)methyl]benzene-1,3-diol
CID 139708055
2-[(1R,2S)-1-amino-2-hydroxyhexyl]benzene-1,4-diol
CID 171261389
2-octadecan-3-ylbenzene-1,4-diol
CID 101149425
2-[1-(octan-4-ylamino)ethyl]benzene-1,4-diol
CID 106023539
4-chloro-6-[1-(5-chloro-2,4-dihydroxyphenyl)butyl]benzene-1,3-diol
CID 22925962
ethane;2-propan-2-ylbenzene-1,4-diol
CID 142526046
2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773
2-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,4-diol
CID 131036322
2-[1-(2-hydroxy-4-propylphenyl)butyl]-5-propylphenol
CID 139833142
4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol
CID 22947162
2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol
CID 54487924

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol?
The IUPAC name of 2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol (CID 23019019) is 2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol is CCCC(c1cc(O)ccc1O)c1cc(O)ccc1O.
What is the InChIKey of 2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol?
The InChIKey is CZVKZNFYLXDVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-2-3-12(13-8-10(17)4-6-15(13)19)14-9-11(18)5-7-16(14)20/h4-9,12,17-20H,2-3H2,1H3.
What are the key properties of 2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol?
2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol has a molecular weight of 274.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol is sourced from PubChem (CID 23019019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).